tribromo(butyl)stannane;dihydrate

C4H13Br3O2Sn — CID 87907152

IUPACtribromo(butyl)stannane;dihydrate
SMILESCCCC[Sn](Br)(Br)Br.O.O
InChIInChI=1S/C4H9.3BrH.2H2O.Sn/c1-3-4-2;;;;;;/h1,3-4H2,2H3;3*1H;2*1H2;/q;;;;;;+3/p-3
InChIKeyDFIZLOVFUXYNCQ-UHFFFAOYSA-K
MW451.57 g/mol
LogP2.26
Rot. Bonds3

About tribromo(butyl)stannane;dihydrate

tribromo(butyl)stannane;dihydrate (PubChem CID 87907152) has the molecular formula C4H13Br3O2Sn and a molecular weight of 451.57 g/mol. Its IUPAC name is tribromo(butyl)stannane;dihydrate.

Molecular Properties

Compound Nametribromo(butyl)stannane;dihydrate
PubChem CID87907152
Molecular FormulaC4H13Br3O2Sn
Molecular Weight451.57 g/mol
Exact Mass449.75
IUPAC Nametribromo(butyl)stannane;dihydrate
SMILESCCCC[Sn](Br)(Br)Br.O.O
InChIInChI=1S/C4H9.3BrH.2H2O.Sn/c1-3-4-2;;;;;;/h1,3-4H2,2H3;3*1H;2*1H2;/q;;;;;;+3/p-3
InChIKeyDFIZLOVFUXYNCQ-UHFFFAOYSA-K
XLogP2.26
TPSA63.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.57
LogP ≤ 52.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

tetrabutylstannane;hydrate
CID 87560971
dibromo(dibutyl)stannane;dibromo(dimethyl)stannane
CID 88779417
tetrabutylstannane
CID 160899301
hexadecakis(pentane);dihydrate
CID 173099119
hexane;tetrahydrate
CID 174107213
heptane;hydrate
CID 57468513
tributyl-[(Z)-2-tributylstannylethenyl]stannane
CID 12858946
tributyl(hexadecyl)stannane
CID 174658060
dibutyl(dichloro)stannane;dihydrochloride
CID 174960716
bis(N-[bis(dimethylamino)phosphoryl]-N-methylmethanamine);dibromo(dibutyl)stannane
CID 134905059
butyl(trioctyl)stannane;hydrochloride
CID 175572560
magnesium;butyl(trichloro)stannane;hydride
CID 174801683

Frequently Asked Questions

What is the IUPAC name of tribromo(butyl)stannane;dihydrate?
The IUPAC name of tribromo(butyl)stannane;dihydrate (CID 87907152) is tribromo(butyl)stannane;dihydrate.
What is the SMILES notation for tribromo(butyl)stannane;dihydrate?
The canonical SMILES for tribromo(butyl)stannane;dihydrate is CCCC[Sn](Br)(Br)Br.O.O.
What is the InChIKey of tribromo(butyl)stannane;dihydrate?
The InChIKey is DFIZLOVFUXYNCQ-UHFFFAOYSA-K. The full InChI is InChI=1S/C4H9.3BrH.2H2O.Sn/c1-3-4-2;;;;;;/h1,3-4H2,2H3;3*1H;2*1H2;/q;;;;;;+3/p-3.
What are the key properties of tribromo(butyl)stannane;dihydrate?
tribromo(butyl)stannane;dihydrate has a molecular weight of 451.57 g/mol, XLogP of 2.26, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for tribromo(butyl)stannane;dihydrate is sourced from PubChem (CID 87907152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).